Target Binding Site Detail

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Target General Information
Ligand General Information
Drug Binding Sites of Target
References
Target General Information  Top
Target ID T60693 Target Info
Target Name Opioid receptor kappa (OPRK1)
Synonyms OPRK; Kappa-type opioid receptor; Kappa opioid receptor; KOR-1; KOR; K-OR-1
Target Type Successful Target
Gene Name OPRK1
Biochemical Class GPCR rhodopsin
UniProt ID
OPRK_HUMAN
Ligand General Information  Top
Ligand Name JDTic Ligand Info
Canonical SMILES CC1CN(CCC1(C)C2=CC(=CC=C2)O)CC(C(C)C)NC(=O)C3CC4=C(CN3)C=C(C=C4)O
InChI 1S/C28H39N3O3/c1-18(2)26(30-27(34)25-13-20-8-9-24(33)12-21(20)15-29-25)17-31-11-10-28(4,19(3)16-31)22-6-5-7-23(32)14-22/h5-9,12,14,18-19,25-26,29,32-33H,10-11,13,15-17H2,1-4H3,(H,30,34)/t19-,25+,26+,28+/m0/s1
InChIKey ZLVXBBHTMQJRSX-VMGNSXQWSA-N
PubChem Compound ID 9956146
Drug Binding Sites of Target  Top
PDB ID: 6VI4      Nanobody-Enabled Monitoring of Kappa Opioid Receptor States
Method X-ray diffraction Resolution 3.30 Å Mutation Yes [1]
PDB Sequence
VIITAVYSVV
69
FVVGLVGNSL
79
VMFVIIRYTK
89
MKTATNIYIF
99
NLALADALVT
109

TTMPFQSTVY
119
LMNSWPFGDV
129
LCKIVLSIDY
139
YNMFTSIFTL
149
TMMSVDRYIA
159

VCHPVKALDF
169
RTPLKAKIIN
179
ICIWLLSSSV
189
GISAIVLGGT
199
KVREDVDVIE
209

CSLQFPDDDY
219
SWWDLFMKIC
229
VFIFAFVIPV
239
LIIIVCYTLM
249
ILRLKSVRLL
259

SGSREKDRNL
269
RRITRLVLVV
279
VAVFVVCWTP
289
IHIFILVEAL
299
GAALSSYYFC
315

IALGYTNSSL
325
NPILYAFLDE
335
NFKRCFRDFC
345
FPL
Residue
Distance (Å)
VAL108
4.617
THR111
3.479
GLN115
3.227
VAL118
3.669
TRP124
3.791
VAL134
4.691
LEU135
4.012
ASP138
2.687
TYR139
4.092
ASN141
4.375
MET142
3.490
CYS210
3.725
Residue
Distance (Å)
LYS227
3.945
VAL230
3.339
TRP287
3.869
ILE290
4.024
HIS291
3.737
ILE294
3.578
TYR312
4.170
ILE316
4.061
GLY319
4.226
TYR320
3.088
SER323
4.857
PDB ID: 4DJH      Structure of the human kappa opioid receptor in complex with JDTic
Method X-ray diffraction Resolution 2.90 Å Mutation Yes [2]
PDB Sequence
SPAIPVIITA
64
VYSVVFVVGL
74
VGNSLVMFVI
84
IRYTKMKTAT
94
NIYIFNLALA
104

DALVTTTMPF
114
QSTVYLMNSW
124
PFGDVLCKIV
134
LSIDYYNMFT
144
SIFTLTMMSV
154

DRYIAVCHPV
164
KALDFRTPLK
174
AKIINICIWL
184
LSSSVGISAI
194
VLGGTKVRED
204

VDVIECSLQF
214
PDDDYSWWDL
224
FMKICVFIFA
234
FVIPVLIIIV
244
CYTLMILRLK
254

SVRLLSGNIF
1004
EMLRIDEGLR
1014
LKIYKDTEGY
1024
YTIGIGHLLT
1034
KSPSLNAAKS
1044

ELDKAIGRNT
1054
NGVITKDEAE
1064
KLFNQDVDAA
1074
VRGILRNAKL
1084
KPVYDSLDAV
1094

RRAALINMVF
1104
QMGETGVAGF
1114
TNSLRMLQQK
1124
RWDEAAVNLA
1134
KSRWYNQTPN
1144

RAKRVITTFR
1154
TGTWDAYREK
265
DRNLRRITRL
275
VLVVVAVFVV
285
CWTPIHIFIL
295

VEALGSAALS
310
SYYFCIALGY
320
TNSSLNPILY
330
AFLDENFKRC
340
FRDFCFP
Residue
Distance (Å)
VAL108
3.837
THR111
3.526
GLN115
3.204
VAL118
4.047
TRP124
3.813
VAL134
3.438
LEU135
3.800
ASP138
2.625
TYR139
3.695
ASN141
4.835
MET142
3.710
CYS210
3.828
Residue
Distance (Å)
MET226
4.964
LYS227
3.674
VAL230
3.151
TRP287
3.536
ILE290
3.572
HIS291
3.916
ILE294
3.597
TYR312
3.906
ILE316
2.916
GLY319
3.751
TYR320
3.504
References  Top
REF 1 Nanobody-enabled monitoring of kappa opioid receptor states. Nat Commun. 2020 Mar 2;11(1):1145.
REF 2 Structure of the human Kappa-opioid receptor in complex with JDTic. Nature. 2012 Mar 21;485(7398):327-32.

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